ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate

C16H20N4O3 — CID 2813164

IUPACethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCC(C(N)=O)CC2)c1C#N
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-8-10(2)19-15(13(12)9-17)20-6-4-11(5-7-20)14(18)21/h8,11H,3-7H2,1-2H3,(H2,18,21)
InChIKeyGTSSCAPBVJKGCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate

ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate (PubChem CID 2813164) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
PubChem CID2813164
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCC(C(N)=O)CC2)c1C#N
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-8-10(2)19-15(13(12)9-17)20-6-4-11(5-7-20)14(18)21/h8,11H,3-7H2,1-2H3,(H2,18,21)
InChIKeyGTSSCAPBVJKGCT-UHFFFAOYSA-N
XLogP1.14
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(3-cyano-4,6-dimethylpyridin-2-yl)piperidine-4-carboxylate
CID 1474731
Ethyl 3-cyano-6-methyl-2-piperidinoisonicotinate
CID 2813163
Ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2746549
2-Hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 659803
Ethyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]-3-pyridinecarboxylate
CID 663782
4-(Methoxymethyl)-6-methyl-2-(piperidin-1-yl)pyridine-3-carbonitrile
CID 701914
Methyl 5-cyano-2-methyl-6-morpholinonicotinate
CID 2769087
Methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 921274
4-(Methoxymethyl)-6-methyl-2-(1-piperazinyl)nicotinonitrile
CID 926201
Methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 2769094
Methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate
CID 2769100
Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate
CID 2795912

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate (CID 2813164) is ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate is CCOC(=O)c1cc(C)nc(N2CCC(C(N)=O)CC2)c1C#N.
What is the InChIKey of ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The InChIKey is GTSSCAPBVJKGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-23-16(22)12-8-10(2)19-15(13(12)9-17)20-6-4-11(5-7-20)14(18)21/h8,11H,3-7H2,1-2H3,(H2,18,21).
What are the key properties of ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 2813164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).